ChemSpider 2D Image | (5'R,9'cis,11'cis,13'cis)-5',8'-Dihydro-5',8'-epoxy-beta,beta-caroten-3-ol | C40H56O2

(5'R,9'cis,11'cis,13'cis)-5',8'-Dihydro-5',8'-epoxy-β,β-caroten-3-ol

  • Molecular FormulaC40H56O2
  • Average mass568.871 Da
  • Monoisotopic mass568.428040 Da
  • ChemSpider ID4478162

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5'R,9'cis,11'cis,13'cis)-5',8'-Dihydro-5',8'-epoxy-β,β-caroten-3-ol [ACD/IUPAC Name]
(5'R,9'cis,11'cis,13'cis)-5',8'-Dihydro-5',8'-époxy-β,β-carotén-3-ol [French] [ACD/IUPAC Name]
(5'R,9'cis,11'cis,13'cis)-5',8'-Dihydro-5',8'-epoxy-β,β-carotin-3-ol [German] [ACD/IUPAC Name]
β,β-Caroten-3-ol, 5',8'-epoxy-5',8'-dihydro-, (5'R,9'cis,11'cis,13'cis)- [ACD/Index Name]
Mutatoxanthine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 684.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±6.0 kJ/mol
Flash Point: 291.5±25.7 °C
Index of Refraction: 1.561
Molar Refractivity: 181.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 11.85
ACD/LogD (pH 5.5): 10.97
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.97
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 29 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 561.8±5.0 cm3

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